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CHEBI:65850 - 7-epiclusianone
| Formula | C33H42O4 |
| Net Charge | 0 |
| Average Mass | 502.695 |
| Monoisotopic Mass | 502.30831 |
| SMILES | CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@](CC=C(C)C)(C2=O)C1(C)C |
| InChI | InChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25,36H,15,18-20H2,1-8H3/t25-,32-,33+/m0/s1 |
| InChIKey | LTDDHUQIMJCFPX-DZMJNENTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Garcinia brasiliensis (IPNI:77100484-1) | |||
| fruit (BTO:0000486) | PubMed (17562491) | ||
| pericarp (BTO:0001017) | PubMed (17562491) | ||
| Rheedia gardneriana (ncbitaxon:469955) | - | DOI (10.1107/S0108270198006477) |
| Roles Classification |
|---|
| Biological Roles: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. |
| Applications: | trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. vasodilator agent A drug used to cause dilation of the blood vessels. anti-inflammatory agent Any compound that has anti-inflammatory effects. anti-allergic agent A drug used to treat allergic reactions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-epiclusianone (CHEBI:65850) has role anti-allergic agent (CHEBI:50857) |
| 7-epiclusianone (CHEBI:65850) has role anti-inflammatory agent (CHEBI:67079) |
| 7-epiclusianone (CHEBI:65850) has role antibacterial agent (CHEBI:33282) |
| 7-epiclusianone (CHEBI:65850) has role metabolite (CHEBI:25212) |
| 7-epiclusianone (CHEBI:65850) has role trypanocidal drug (CHEBI:36335) |
| 7-epiclusianone (CHEBI:65850) has role vasodilator agent (CHEBI:35620) |
| 7-epiclusianone (CHEBI:65850) is a aromatic ketone (CHEBI:76224) |
| 7-epiclusianone (CHEBI:65850) is a bridged compound (CHEBI:35990) |
| 7-epiclusianone (CHEBI:65850) is a enol (CHEBI:33823) |
| 7-epiclusianone (CHEBI:65850) is a enone (CHEBI:51689) |
| IUPAC Name |
|---|
| (1R,5R,7S)-3-benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione |
| Manual Xrefs | Databases |
|---|---|
| CN101293821 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8088873 | Reaxys |
| Citations |
|---|